General Information of the Compound
| Compound ID |
CP0514244
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| Compound Name |
N-(2,6-difluorophenyl)-4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C30H31F2N7O3
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| Molecular Weight |
575.62
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| Canonical SMILES |
Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C30H31F2N7O3/c1-19-15-20(36-29-22-16-27(38-11-13-41-14-12-38)33-17-25(22)34-18-35-29)5-6-26(19)42-21-7-9-39(10-8-21)30(40)37-28-23(31)3-2-4-24(28)32/h2-6,15-18,21H,7-14H2,1H3,(H,37,40)(H,34,35,36)
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| InChIKey |
XLFDKKYOEFVYCT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound